1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine

C12H15Cl2N5 — CID 107048891

IUPAC1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCNC(Cc1ccc(Cl)c(Cl)c1)Cc1nnn(C)n1
InChIInChI=1S/C12H15Cl2N5/c1-15-9(7-12-16-18-19(2)17-12)5-8-3-4-10(13)11(14)6-8/h3-4,6,9,15H,5,7H2,1-2H3
InChIKeyVOFNLCPDXBTNBK-UHFFFAOYSA-N
MW300.19 g/mol
LogP1.89
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine

1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine (PubChem CID 107048891) has the molecular formula C12H15Cl2N5 and a molecular weight of 300.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
PubChem CID107048891
Molecular FormulaC12H15Cl2N5
Molecular Weight300.19 g/mol
Exact Mass299.07
IUPAC Name1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine
SMILESCNC(Cc1ccc(Cl)c(Cl)c1)Cc1nnn(C)n1
InChIInChI=1S/C12H15Cl2N5/c1-15-9(7-12-16-18-19(2)17-12)5-8-3-4-10(13)11(14)6-8/h3-4,6,9,15H,5,7H2,1-2H3
InChIKeyVOFNLCPDXBTNBK-UHFFFAOYSA-N
XLogP1.89
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,6S)-6-(3,4-dichlorophenyl)-1-[(5-propan-2-yltetrazol-2-yl)methyl]-3-azabicyclo[4.1.0]heptane
CID 44219364
[3-(3,4-Dichloro-phenyl)-3-tetrazol-2-yl-propyl]-methyl-amine
CID 44511399
(S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H-tetrazol-2-yl)propan-1-amine
CID 44539967
[3-(3,4-Dichloro-phenyl)-3-tetrazol-2-yl-propyl]-dimethyl-amine
CID 49866033
N-methyl-3-(tetrazol-2-yl)-3-(2,3,4-trichlorophenyl)propan-1-amine
CID 44539859
3-(2-chlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine
CID 44539861
3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine
CID 44539968
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-(5-methyltetrazol-2-yl)propan-1-amine
CID 44540610
(3R)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine
CID 44541076
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049049
1-(2-chloro-4-fluorophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049051
1-(2-Chloro-6-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049056

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine (CID 107048891) is 1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine is CNC(Cc1ccc(Cl)c(Cl)c1)Cc1nnn(C)n1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
The InChIKey is VOFNLCPDXBTNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N5/c1-15-9(7-12-16-18-19(2)17-12)5-8-3-4-10(13)11(14)6-8/h3-4,6,9,15H,5,7H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine?
1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine has a molecular weight of 300.19 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-methyl-3-(2-methyltetrazol-5-yl)propan-2-amine is sourced from PubChem (CID 107048891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).